ChemSpider 2D Image | 5,6-Dihydroxy-1-benzothiophene-2-carboxylic acid | C9H6O4S

5,6-Dihydroxy-1-benzothiophene-2-carboxylic acid

  • Molecular FormulaC9H6O4S
  • Average mass210.206 Da
  • Monoisotopic mass209.998672 Da
  • ChemSpider ID14951318

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

5,6-Dihydroxy-1-benzothiophen-2-carbonsäure [German] [ACD/IUPAC Name]
5,6-Dihydroxy-1-benzothiophene-2-carboxylic acid [ACD/IUPAC Name]
97852-77-2 [RN]
Acide 5,6-dihydroxy-1-benzothiophène-2-carboxylique [French] [ACD/IUPAC Name]
Benzo[b]thiophene-2-carboxylic acid, 5,6-dihydroxy- [ACD/Index Name]
MFCD24483877

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point: 521.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.6±3.0 kJ/mol
Flash Point: 268.9±28.7 °C
Index of Refraction: 1.818
Molar Refractivity: 53.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.64
ACD/LogD (pH 5.5): 0.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.09
ACD/LogD (pH 7.4): -1.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 106 Å2
Polarizability: 21.1±0.5 10-24cm3
Surface Tension: 99.3±3.0 dyne/cm
Molar Volume: 122.4±3.0 cm3

Click to predict properties on the Chemicalize site


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